Basic information
- CAS
5980-31-4- Standard SMILES
CCCCC(CC)CN1CN2CN(CC(CC)CCCC)CC2(C)C1- InChIKey
MSJBLPVXRJMJSY-UHFFFAOYSA-N- Molecular formula
- C22H45N3
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.36134845
Names & identifiers
- Preferred name
- Hexedine
- IUPAC
- 2,6-bis(2-ethylhexyl)-7a-methyl-1,3,5,7-tetrahydroimidazo[1,5-c]imidazole
- English name
- Hexedine
- Molecular formula
- C22H45N3
- Molecular weight
- 351.618
Names & synonyms
HEXEDINE5980-31-4SterisolHexedinaEsedinaHexedinumW 4701NSC-356715LRE2528Y9EW-4701RefChem:7874682,6-bis(2-ethylhexyl)-7a-methyl-1,3,5,7-tetrahydroimidazo[1,5-c]imidazole
Show more names
HexedinHexetidine Impurity CHexetidine EP Impurity C2,6-Bis(2-ethylhexyl)-7a-methylhexaHexetidine Impurity 3 (Hexetidine EP Impurity C)2,6-Bis(2-ethylhexyl)hexahydro-7a-methyl-1H-imidazo[1,5-c]imidazole1H-Imidazo[1,5-c]imidazole, 2,6-bis(2-ethylhexyl)hexahydro-7a-methyl-
1H-Imidazo(1,5-c)imidazole, 2,6-bis(2-ethylhexyl)hexahydro-7a-methyl-2,6-Bis(2-ethylhexyl)-7a-methylhexahydro-1H-imidazo[1,5-c]imidazole2,6-Bis(2-ethylhexyl)-hexahydro-7a-methyl-1H-imidazo(1,5-c)imidazole2,6-Bis(2-ethylhexyl)-7a-methylhexahydro-1H-imidazo[1,5-c]imidazole (Hexedine)Esedina [DCIT]Hexedine [USAN:INN]Hexedinum [INN-Latin]Hexedina [INN-Spanish]
Database identifiers
- CAS
5980-31-4- PubChem CID
- 22291
- DTXSID
DTXSID70863669- ChEMBL
CHEMBL2104884- UNII
- LRE2528Y9E
- EC Number
- 642-028-1
- Nikkaji
- J8.323B
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 0.025 · bp0.025 131°
- refractive index
- 22 · nD22 1.4660
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Colourless
- FDA UNII
- 2528 Y9E · LRE2528Y9E
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesAntibacterial.
UsesHexedine is an anti-microbial agent and a drug constituent. Hexedine is a bactericide useful in the treatment of microbial infections e.g staphylococcus aureus.
Suppliers15 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海杰瑞兴生物医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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